1-tricyclohexylphosphine-4-isopropylborabenzene | 1192050-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-tricyclohexylphosphine-4-isopropylborabenzene
• 英文别名: 4-iPrC5H4B-PCy3
• CAS: 1192050-79-5
• 化学式: C₂₆H₄₄BP
• 分子量: 398.42
• InChiKey: AFZTZTYMVRAPSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1-tricyclohexylphosphine-4-isopropylborabenzene 以 氘代苯 为溶剂， 反应 144.0h， 生成 1-pyridine-4-isopropylborabenzene
  参考文献：
  名称：

  Insights into the Formation of Borabenzene Adducts via Ligand Exchange Reactions and TMSCl Elimination from Boracyclohexadiene Precursors

  摘要：

  The bonding properties of borabenzene with various neutral Lewis bases have been investigated. 1-Chloro-4-isopropyl-2-(trimethylsilyl)-2,4-boracyclohexadiene reacts with a number of Lewis bases-notably pyridine, PMe3, PCy3, and PPh3-to afford 4-isopropylborabenzene-base adducts. These adducts can undergo ligand exchange to afford new borabenzene complexes. The scope and mechanism of the reaction, as well as the steric and electronic properties of different adducts, were studied experimentally and computationally.

  DOI：

  10.1021/om500524j
• 作为产物：
  描述：

  1-chloro-2-(trimethylsilyl)-4-(isopropyl)boracyclohexa-2,5-diene 以 正己烷 、 氘代苯 为溶剂， 反应 74.0h， 生成 1-tricyclohexylphosphine-4-isopropylborabenzene
  参考文献：
  名称：

  Insights into the Formation of Borabenzene Adducts via Ligand Exchange Reactions and TMSCl Elimination from Boracyclohexadiene Precursors

  摘要：

  The bonding properties of borabenzene with various neutral Lewis bases have been investigated. 1-Chloro-4-isopropyl-2-(trimethylsilyl)-2,4-boracyclohexadiene reacts with a number of Lewis bases-notably pyridine, PMe3, PCy3, and PPh3-to afford 4-isopropylborabenzene-base adducts. These adducts can undergo ligand exchange to afford new borabenzene complexes. The scope and mechanism of the reaction, as well as the steric and electronic properties of different adducts, were studied experimentally and computationally.

  DOI：

  10.1021/om500524j

文献信息

• [(IMes)₂Pt(H)(ClBC₅H₄SiMe₃)]: a Borabenzene-Platinum Adduct with an Unusual Pt-Cl-B Interaction
  作者：André Languérand、Stephanie S. Barnes、Guillaume Bélanger-Chabot、Laurent Maron、Philippe Berrouard、Pierre Audet、Frédéric-Georges Fontaine

  DOI：10.1002/anie.200902870

  日期：2009.8.24

  A Pt‐Cl‐B interaction is observed when a borabenzene derivative reacts with a platinum(0) precursor with bulky N‐heterocyclic carbene ligands. The resulting platinum(II) complex (see picture; Pt red, N blue, Cl green, B pink, Si yellow) involves a new bonding mode for borabenzene, which usually binds in an η6 fashion to transition metals.

  当硼苯衍生物与具有庞大N-杂环卡宾配体的Platinum（0）前体反应时，会观察到Pt-Cl-B相互作用。将得到的铂（II）配合物（见图片;铂红，N蓝色，绿色氯，B粉红色，黄色的Si）涉及在η为borabenzene，其通常结合了新的键合方式6的方式过渡金属。